3-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]propan-1-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N3O3S2/c1-16-7-8-18(15-17(16)2)30(27,28)25-13-11-24(12-14-25)22(26)10-9-21-23-19-5-3-4-6-20(19)29-21/h3-8,15H,9-14H2,1-2H3